(3S,4R)-3-(Carboxymethyl)-4-[(1E)-N-{2-[(Carboxymethyl)Amino]-2-Oxoethoxy}Ethanimidoyl]-L-Proline

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Formula C13H19N3O8
IUPAC Name (2s,3s,4r)-3-(carboxymethyl)-4-[(e)-n-[2-(carboxymethylamino)-2-oxo-ethoxy]-c-methyl-carbonimidoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 345.305 g·mol−1
Heat of Formation -1330.8 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 390.78 Å 3
Surface Area 344.76 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r)-3-(carboxymethyl)-4-[(1e)-1-[2-(carboxymethylamino)-2-oxoethoxy]iminoethyl]-2-pyrrolidinecarboxylic acid
  • (2s,3s,4r)-3-(carboxymethyl)-4-[n-[2-(carboxymethylamino)-2-keto-ethoxy]-c-methyl-carbonimidoyl]proline
  • (2s,3s,4r)-3-(carboxymethyl)-4-[n-[2-(carboxymethylamino)-2-oxo-ethoxy]-c-methyl-carbonimidoyl]pyrrolidine-2-carboxylic acid
  • (2s,3s,4r)-3-(carboxymethyl)-4-[n-[2-(carboxymethylamino)-2-oxoethoxy]-c-methylcarbonimidoyl]pyrrolidine-2-carboxylic acid
  • kainylaminooxyacetylglycine
  • kaoag
CAS Number(s)
  • 119320-06-8
InChIKey QBIKARYQTKNDPS-MUTADSMTSA-N
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